==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-APR-12 4EMD . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 1 0 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 3 1 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 12 A G 0 0 107 0, 0.0 44,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 14.6 -4.8 -16.0 19.1 2 13 A A E -A 44 0A 31 42,-0.2 2,-0.4 2,-0.0 42,-0.2 -0.899 360.0-153.7-111.3 147.5 -3.6 -17.4 15.8 3 14 A V E -A 43 0A 6 40,-2.3 40,-3.1 -2,-0.4 2,-0.5 -0.998 5.9-161.6-120.0 130.8 -3.2 -15.3 12.7 4 15 A T E -AB 42 298A 15 294,-2.8 293,-2.8 -2,-0.4 294,-1.4 -0.956 7.6-172.8-113.5 130.9 -3.5 -16.9 9.2 5 16 A V E -AB 41 296A 0 36,-2.6 36,-3.1 -2,-0.5 2,-0.5 -0.980 13.1-147.8-124.0 133.2 -2.1 -15.0 6.2 6 17 A R E -AB 40 295A 120 289,-2.3 289,-1.9 -2,-0.4 34,-0.2 -0.890 17.1-175.5 -99.0 129.9 -2.4 -16.1 2.6 7 18 A A E -A 39 0A 0 32,-2.7 32,-2.5 -2,-0.5 2,-0.1 -0.988 19.2-124.5-128.2 135.8 0.4 -15.2 0.2 8 19 A P E -A 38 0A 7 0, 0.0 30,-0.2 0, 0.0 28,-0.1 -0.409 8.6-125.9 -82.5 152.9 0.4 -15.8 -3.5 9 20 A G E -A 35 0A 0 28,-2.6 26,-2.3 26,-0.6 2,-0.3 -0.396 33.8-139.6 -73.9 162.5 2.7 -17.7 -5.9 10 21 A K E -A 34 0A 11 90,-1.6 2,-0.4 24,-0.2 24,-0.2 -0.917 16.2-159.7-124.8 159.8 4.0 -15.7 -8.9 11 22 A V E -A 33 0A 0 22,-2.1 22,-1.7 -2,-0.3 2,-0.8 -0.971 24.3-129.4-128.4 141.2 4.6 -16.1 -12.5 12 23 A N E -A 32 0A 4 -2,-0.4 20,-0.2 20,-0.2 241,-0.2 -0.862 19.8-174.5 -88.9 112.3 7.0 -13.8 -14.4 13 24 A L E S+ 0 0 0 18,-2.7 207,-2.2 -2,-0.8 2,-0.3 0.765 81.7 16.5 -71.2 -29.3 5.1 -12.6 -17.5 14 25 A Y E +Ac 31 220A 14 17,-1.0 17,-2.5 205,-0.2 2,-0.3 -0.984 69.6 175.1-145.1 130.6 8.3 -10.9 -18.7 15 26 A L E +Ac 30 221A 7 205,-1.6 207,-3.4 -2,-0.3 2,-0.5 -0.817 2.4 179.0-148.0 103.1 11.8 -11.6 -17.4 16 27 A A E -A 29 0A 18 13,-3.0 13,-2.2 -2,-0.3 2,-0.5 -0.915 16.1-153.9-102.1 129.0 14.9 -10.0 -18.9 17 28 A V E -A 28 0A 3 -2,-0.5 11,-0.2 11,-0.2 10,-0.1 -0.904 15.9-179.3-110.4 126.1 18.2 -11.0 -17.3 18 29 A G E - 0 0 22 9,-3.3 2,-0.1 -2,-0.5 -1,-0.1 0.049 37.9 -34.0-100.7-149.5 21.1 -8.6 -17.4 19 30 A D E - 0 0 131 7,-0.1 8,-2.7 1,-0.1 2,-0.3 -0.340 61.0 -99.5 -75.0 152.6 24.7 -8.6 -16.2 20 31 A L E -A 26 0A 101 6,-0.2 6,-0.3 -2,-0.1 2,-0.1 -0.560 46.0-143.9 -67.0 123.6 26.1 -10.1 -13.0 21 32 A R > - 0 0 72 4,-3.7 3,-1.8 -2,-0.3 -1,-0.1 -0.416 25.2-101.0 -88.4 167.2 26.5 -7.3 -10.4 22 33 A D T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.910 121.1 59.9 -48.4 -47.9 29.2 -6.7 -7.7 23 34 A D T 3 S- 0 0 77 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.457 120.3-106.6 -68.4 2.4 26.7 -8.1 -5.1 24 35 A G S < S+ 0 0 52 -3,-1.8 2,-0.2 1,-0.4 -1,-0.1 0.414 87.1 109.9 86.3 -2.5 26.5 -11.6 -6.9 25 36 A Y - 0 0 107 -6,-0.0 -4,-3.7 -5,-0.0 2,-0.4 -0.675 69.0-116.9 -94.8 158.7 23.0 -10.9 -8.2 26 37 A H E -A 20 0A 18 -6,-0.3 -6,-0.2 -2,-0.2 2,-0.2 -0.792 25.2-118.6 -90.8 141.5 21.9 -10.3 -11.8 27 38 A E E + 0 0 79 -8,-2.7 -9,-3.3 -2,-0.4 2,-0.3 -0.493 47.4 173.6 -67.8 140.4 20.4 -7.1 -12.8 28 39 A L E -A 17 0A 17 123,-2.7 2,-0.4 -11,-0.2 123,-0.4 -0.988 36.3-149.5-148.9 163.8 16.9 -7.7 -14.2 29 40 A T E +A 16 0A 53 -13,-2.2 -13,-3.0 -2,-0.3 2,-0.3 -0.983 33.8 165.5-129.7 123.1 13.7 -6.3 -15.4 30 41 A T E -AD 15 149A 2 119,-2.6 119,-3.3 -2,-0.4 2,-0.6 -0.960 37.7-140.4-137.4 152.1 10.6 -8.4 -14.8 31 42 A V E -AD 14 148A 0 -17,-2.5 -18,-2.7 -2,-0.3 -17,-1.0 -0.967 29.2-160.2-109.0 105.3 6.8 -8.2 -14.8 32 43 A F E -AD 12 147A 2 115,-2.8 115,-2.2 -2,-0.6 2,-0.4 -0.679 6.8-169.3 -80.8 146.0 5.6 -10.2 -11.7 33 44 A H E -AD 11 146A 0 -22,-1.7 -22,-2.1 -2,-0.3 2,-0.4 -0.984 13.4-141.6-142.4 121.5 2.0 -11.4 -11.7 34 45 A A E -A 10 0A 0 111,-3.0 257,-1.2 -2,-0.4 2,-0.3 -0.717 22.2-166.8 -89.5 134.5 0.5 -12.9 -8.5 35 46 A V E -A 9 0A 0 -26,-2.3 -26,-0.6 -2,-0.4 254,-0.2 -0.752 34.7-103.7-123.7 165.5 -1.9 -15.9 -8.9 36 47 A S E S+ 0 0 59 252,-2.4 2,-0.9 -2,-0.3 253,-0.1 0.441 90.2 100.3 -73.6 0.1 -4.4 -17.8 -6.8 37 48 A L E + 0 0 11 251,-0.2 -28,-2.6 -28,-0.1 -2,-0.3 -0.790 63.9 160.2 -83.4 111.0 -2.1 -20.7 -6.2 38 49 A A E -A 8 0A 10 -2,-0.9 55,-0.8 -30,-0.2 2,-0.4 -0.792 43.8-123.3-135.6 161.9 -1.1 -19.6 -2.7 39 50 A D E -AE 7 92A 0 -32,-2.5 -32,-2.7 -2,-0.3 2,-0.5 -0.945 19.5-147.7-106.3 144.3 0.3 -20.7 0.6 40 51 A D E -AE 6 91A 41 51,-2.4 51,-3.0 -2,-0.4 2,-0.5 -0.937 14.2-165.8-111.1 125.0 -1.6 -20.2 3.9 41 52 A V E -AE 5 90A 0 -36,-3.1 -36,-2.6 -2,-0.5 2,-0.5 -0.960 5.1-163.2-119.8 120.9 0.6 -19.5 6.9 42 53 A T E -AE 4 89A 20 47,-2.7 47,-2.7 -2,-0.5 2,-0.4 -0.930 8.8-170.0-106.9 122.1 -0.8 -19.7 10.5 43 54 A V E +AE 3 88A 0 -40,-3.1 -40,-2.3 -2,-0.5 2,-0.3 -0.930 7.4 175.0-116.7 132.5 1.4 -18.1 13.2 44 55 A R E -AE 2 87A 121 43,-2.0 43,-2.4 -2,-0.4 -42,-0.2 -0.945 39.7 -99.5-129.1 153.2 0.7 -18.5 16.9 45 56 A D E + E 0 86A 90 -44,-0.7 2,-0.3 -2,-0.3 41,-0.3 -0.504 56.0 164.0 -65.7 143.9 2.6 -17.3 20.0 46 57 A A - 0 0 32 39,-2.0 3,-0.1 -2,-0.1 4,-0.0 -0.918 51.4-103.1-154.0 174.9 4.7 -20.2 21.3 47 58 A D S S+ 0 0 150 -2,-0.3 2,-0.3 1,-0.1 39,-0.1 0.754 101.6 12.4 -80.8 -23.3 7.6 -21.0 23.6 48 59 A V S S- 0 0 97 37,-0.1 2,-0.4 35,-0.0 -1,-0.1 -0.953 88.7 -89.4-146.3 162.4 10.1 -21.5 20.8 49 60 A L + 0 0 21 -2,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.595 55.4 158.7 -71.3 125.9 10.4 -20.8 17.1 50 61 A S E -f 87 0A 50 36,-1.6 38,-2.5 -2,-0.4 2,-0.4 -0.993 26.4-154.1-149.8 155.3 9.2 -23.7 14.9 51 62 A I E +f 88 0A 12 12,-0.5 2,-0.3 -2,-0.3 38,-0.2 -0.989 10.0 179.6-128.9 138.3 7.9 -24.5 11.4 52 63 A D E -f 89 0A 96 36,-2.3 38,-3.2 -2,-0.4 2,-0.4 -0.974 10.6-159.6-135.1 151.0 5.7 -27.3 10.1 53 64 A V E +f 90 0A 6 -2,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.993 12.7 175.0-135.9 135.7 4.5 -27.8 6.5 54 65 A V E +f 91 0A 35 36,-2.3 38,-2.8 -2,-0.4 2,-0.3 -0.886 57.3 28.8-127.6 167.0 1.7 -29.7 4.8 55 66 A G E > S+f 92 0A 31 -2,-0.3 3,-2.1 36,-0.2 4,-0.2 -0.681 112.9 24.6 86.8-143.1 0.7 -29.8 1.2 56 67 A Q T 3 S+ 0 0 30 36,-2.4 36,-0.2 -2,-0.3 38,-0.1 -0.394 137.2 13.3 -55.2 129.1 3.5 -29.4 -1.4 57 68 A G T >> S+ 0 0 12 39,-0.1 4,-2.2 -2,-0.1 3,-1.3 0.558 80.9 142.6 79.5 8.2 6.8 -30.4 0.2 58 69 A E T <4 S+ 0 0 124 -3,-2.1 -5,-0.2 1,-0.3 -2,-0.1 0.911 80.8 33.1 -49.4 -45.9 5.1 -32.1 3.2 59 70 A G T 34 S+ 0 0 85 -4,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.791 132.7 32.3 -68.3 -16.1 7.7 -34.9 3.2 60 71 A T T <4 S+ 0 0 104 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.794 76.8 98.7-128.6 -60.4 10.4 -32.7 2.0 61 72 A V S < S- 0 0 24 -4,-2.2 -8,-0.1 1,-0.1 6,-0.1 -0.309 71.8-112.9 -63.9 128.6 10.7 -29.0 2.9 62 73 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.340 20.3-163.4 -62.0 148.0 13.2 -28.2 5.7 63 74 A T + 0 0 65 3,-0.1 -12,-0.5 -12,-0.1 2,-0.1 0.233 66.5 74.8-116.7 11.3 11.7 -26.8 8.9 64 75 A D S > S- 0 0 65 -14,-0.1 3,-2.2 6,-0.0 6,-0.3 -0.070 113.6 -53.5-100.3-154.8 15.0 -25.5 10.4 65 76 A E T 3 S+ 0 0 122 1,-0.3 6,-0.2 5,-0.1 -2,-0.0 0.588 125.4 75.7 -67.7 -7.2 17.1 -22.4 9.5 66 77 A R T 3 S+ 0 0 177 4,-0.1 2,-0.4 3,-0.0 -1,-0.3 0.771 78.6 90.5 -66.7 -25.5 17.1 -23.6 5.9 67 78 A N S X> S- 0 0 10 -3,-2.2 3,-1.8 1,-0.2 4,-1.1 -0.616 75.9-144.1 -79.8 126.5 13.5 -22.4 5.7 68 79 A L H 3> S+ 0 0 31 -2,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.780 100.4 65.4 -61.1 -25.8 13.2 -18.7 4.6 69 80 A A H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.833 97.2 55.4 -65.2 -29.4 10.3 -18.4 7.0 70 81 A W H <> S+ 0 0 48 -3,-1.8 4,-2.4 -6,-0.3 -1,-0.2 0.934 109.0 45.3 -62.7 -49.4 12.7 -19.0 9.9 71 82 A Q H X S+ 0 0 74 -4,-1.1 4,-2.8 1,-0.2 -2,-0.2 0.889 110.6 54.7 -67.0 -35.3 14.8 -16.1 8.8 72 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.904 109.4 47.6 -61.9 -43.2 11.7 -14.0 8.3 73 84 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.917 113.6 47.5 -64.9 -42.6 10.6 -14.6 11.9 74 85 A E H X S+ 0 0 78 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 114.1 47.1 -63.2 -43.3 14.1 -13.8 13.3 75 86 A L H X S+ 0 0 35 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.916 113.7 46.2 -68.9 -43.5 14.3 -10.6 11.2 76 87 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.895 113.1 50.0 -63.9 -44.5 10.9 -9.3 12.1 77 88 A A H X>S+ 0 0 1 -4,-2.3 5,-2.6 -5,-0.2 4,-1.0 0.924 111.1 49.0 -61.9 -42.1 11.4 -10.1 15.9 78 89 A D H ><5S+ 0 0 125 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.918 107.8 55.1 -65.7 -42.3 14.7 -8.4 15.9 79 90 A H H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.4 38.2 -53.1 -39.8 13.1 -5.4 14.1 80 91 A V H 3<5S- 0 0 46 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.457 115.8-110.8 -99.5 -2.7 10.5 -5.0 16.9 81 92 A G T <<5S+ 0 0 66 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.883 77.2 110.5 79.1 42.5 12.8 -5.9 19.8 82 93 A R S - 0 0 8 0, 0.0 3,-0.8 0, 0.0 7,-0.5 -0.247 31.0-108.3 -64.3 149.4 5.3 -26.0 -5.8 96 107 A V T 3 S- 0 0 53 1,-0.2 -39,-0.1 2,-0.1 80,-0.1 -0.628 95.9 -8.7 -79.5 128.8 8.7 -26.5 -4.1 97 108 A A T 3 S+ 0 0 54 -2,-0.4 79,-2.0 78,-0.2 -1,-0.2 0.895 101.4 129.7 54.0 45.8 11.7 -25.2 -6.1 98 109 A G S < S- 0 0 4 -3,-0.8 159,-1.7 77,-0.2 154,-0.2 0.414 79.9-101.5-114.6 -3.9 9.3 -24.6 -9.0 99 110 A G S S+ 0 0 7 77,-0.2 -87,-0.2 155,-0.2 156,-0.1 0.546 99.4 97.5 92.0 7.6 9.8 -21.0 -10.2 100 111 A M S S- 0 0 1 -5,-0.3 -90,-1.6 155,-0.1 5,-0.1 0.237 90.5-118.9-115.8 9.0 6.8 -19.6 -8.4 101 112 A A > + 0 0 20 -92,-0.2 4,-1.9 3,-0.1 5,-0.1 0.902 50.4 161.5 57.3 51.6 8.6 -18.2 -5.2 102 113 A G H > S+ 0 0 4 -7,-0.5 4,-2.1 2,-0.2 5,-0.1 0.889 73.5 51.0 -67.6 -38.6 6.8 -20.3 -2.6 103 114 A G H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 110.8 51.2 -65.7 -37.2 9.5 -19.8 0.1 104 115 A S H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.866 107.9 51.0 -65.3 -40.5 9.3 -16.1 -0.6 105 116 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.931 110.7 50.0 -59.6 -43.6 5.5 -16.2 -0.2 106 117 A D H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.911 111.1 48.5 -65.2 -43.8 5.9 -18.0 3.1 107 118 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.922 111.8 48.8 -62.5 -45.4 8.4 -15.4 4.3 108 119 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.907 110.0 52.9 -54.8 -48.6 6.2 -12.5 3.3 109 120 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.866 106.2 53.0 -56.1 -40.9 3.3 -14.2 5.1 110 121 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.924 107.8 50.9 -63.5 -45.6 5.3 -14.5 8.3 111 122 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.938 115.9 41.0 -54.5 -48.5 6.1 -10.8 8.3 112 123 A V H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 115.9 49.8 -69.1 -43.7 2.5 -9.8 7.9 113 124 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.893 112.5 46.5 -63.6 -43.4 1.2 -12.5 10.3 114 125 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 6,-0.3 0.897 109.3 55.8 -68.9 -39.7 3.7 -11.5 13.1 115 126 A N H <>S+ 0 0 25 -4,-2.0 5,-2.2 -5,-0.3 6,-0.5 0.935 115.8 37.4 -52.2 -48.6 2.8 -7.8 12.5 116 127 A E H ><5S+ 0 0 71 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.903 113.5 55.7 -72.5 -44.9 -0.8 -8.6 13.2 117 128 A L H 3<5S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 121.0 30.7 -54.6 -39.0 -0.2 -11.2 15.9 118 129 A W T 3<5S- 0 0 27 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.405 101.5-129.9-100.7 -4.0 1.8 -8.7 17.9 119 130 A H T < 5 + 0 0 144 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.910 49.6 159.8 46.9 52.2 -0.1 -5.6 16.7 120 131 A A < - 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0 0 2 -159,-1.7 -5,-2.8 -5,-0.3 2,-0.4 -0.438 65.7-143.3 -63.8 137.8 6.9 -25.2 -13.6 258 269 A C E -JK 170 251C 0 -88,-2.0 -88,-2.8 -7,-0.2 2,-0.4 -0.899 10.1-156.3-104.1 137.1 5.2 -24.4 -16.9 259 270 A A E -JK 169 250C 1 -9,-3.3 -9,-2.4 -2,-0.4 2,-0.5 -0.924 4.8-165.2-112.7 138.2 2.5 -21.7 -17.0 260 271 A F E -JK 168 249C 0 -92,-2.6 -92,-1.9 -2,-0.4 2,-0.4 -0.979 11.0-146.0-129.0 120.2 -0.2 -21.5 -19.7 261 272 A L E -JK 167 248C 0 -13,-1.8 -14,-2.3 -2,-0.5 -13,-1.0 -0.730 22.0-170.4 -86.0 133.5 -2.3 -18.4 -20.3 262 273 A C E -J 166 0C 1 -96,-3.1 -96,-0.6 -2,-0.4 -16,-0.1 -0.655 30.2-119.2-119.2 168.4 -5.8 -19.3 -21.4 263 274 A T S S- 0 0 50 -2,-0.2 2,-0.3 1,-0.2 -51,-0.1 0.712 86.4 -6.1 -83.4 -20.8 -8.7 -17.1 -22.8 264 275 A S S > S- 0 0 43 1,-0.1 4,-1.9 -98,-0.1 5,-0.2 -0.972 75.6 -92.7-162.5 169.4 -11.2 -17.8 -20.1 265 276 A A H > S+ 0 0 54 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.926 125.8 49.9 -59.3 -45.4 -12.0 -19.8 -17.0 266 277 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 107.1 55.0 -62.2 -37.1 -13.7 -22.4 -19.1 267 278 A D H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.905 106.6 50.5 -61.1 -43.1 -10.7 -22.6 -21.4 268 279 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.850 106.4 56.2 -64.6 -32.2 -8.4 -23.3 -18.5 269 280 A V H X S+ 0 0 84 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.945 113.3 41.0 -65.8 -42.3 -10.7 -26.1 -17.4 270 281 A Q H X S+ 0 0 111 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.920 115.7 48.5 -70.5 -47.4 -10.4 -27.7 -20.8 271 282 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.930 111.2 50.4 -61.4 -44.3 -6.6 -27.0 -21.1 272 283 A S H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.900 110.7 49.4 -61.1 -40.0 -5.8 -28.4 -17.7 273 284 A A H X S+ 0 0 67 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.944 113.1 46.3 -64.5 -45.9 -7.8 -31.6 -18.3 274 285 A E H X S+ 0 0 51 -4,-2.4 4,-0.9 1,-0.2 3,-0.2 0.935 113.5 49.6 -63.1 -44.2 -6.1 -32.2 -21.7 275 286 A L H ><>S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 5,-0.6 0.918 107.5 53.2 -63.2 -40.6 -2.7 -31.5 -20.2 276 287 A A H ><5S+ 0 0 69 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.829 110.2 49.8 -61.2 -33.2 -3.3 -34.0 -17.2 277 288 A G H 3<5S+ 0 0 70 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.632 94.9 75.3 -77.8 -16.9 -4.2 -36.7 -19.8 278 289 A A T <<5S- 0 0 52 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.637 91.8-133.5 -74.5 -17.3 -1.0 -36.1 -21.9 279 290 A G T < 5S+ 0 0 61 -3,-0.5 -3,-0.1 -4,-0.4 -2,-0.1 0.823 72.4 112.4 67.9 34.7 1.5 -37.8 -19.5 280 291 A V S